(1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: (1-propyl-1,2,3,4-tetrazol-5-yl)methyl 3-chloranyladamantane-1-carboxylate Openeye Name: (1-propyltetrazol-5-yl)methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid (1-propyl-5-tetrazolyl)methyl ester IUPAC Name: (1-propyltetrazol-5-yl)methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid (1-propyltetrazol-5-yl)methyl ester Formula: C16H23ClN4O2 MolecularWeight: 338.83242

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=N1)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

Isomeric SMILES

CCCN1C(=NN=N1)COC(=O)C23CC4CC(C2)CC(C4)(C3)Cl

InChI

InChI=1S/C16H23ClN4O2/c1-2-3-21-13(18-19-20-21)9-23-14(22)15-5-11-4-12(6-15)8-16(17,7-11)10-15/h11-12H,2-10H2,1H3